#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/16/7011633.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7011633
loop_
_publ_author_name
'Bruce, Michael I.'
'Zaitseva, Natasha N.'
'Skelton, Brian W.'
'White, Allan H.'
_publ_section_title
;
 Synthesis of carbido and related derivatives from calcium carbide and
 ruthenium carbonyl clusters
;
_journal_issue                   20
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3879
_journal_paper_doi               10.1039/b202364b
_journal_year                    2002
_chemical_formula_sum            'C100 H64 Cl4 N2 O24 P4 Ru10'
_chemical_formula_weight         2954.01
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             01-08-24
_audit_creation_method           Xtal3.6
_cell_angle_alpha                101.622(2)
_cell_angle_beta                 94.226(2)
_cell_angle_gamma                94.918(2)
_cell_formula_units_Z            2
_cell_length_a                   12.3130(10)
_cell_length_b                   18.211(2)
_cell_length_c                   23.540(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    150
_cell_measurement_theta_max      24.1
_cell_measurement_theta_min      1.8
_cell_volume                     5128.7(8)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_sigmaI/netI    .082
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            103731
_diffrn_reflns_theta_max         32.69
_diffrn_reflns_theta_min         1.3
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.668
_exptl_absorpt_correction_T_max  .73
_exptl_absorpt_correction_T_min  .56
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS Sheldrick, 1996
;
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    1.913
_exptl_crystal_description       tablet
_exptl_crystal_F_000             2876
_exptl_crystal_size_max          .32
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .13
_refine_diff_density_max         3.87
_refine_diff_density_min         -2.188
_refine_ls_goodness_of_fit_all   1.166
_refine_ls_goodness_of_fit_ref   1.217
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     1297
_refine_ls_number_reflns         27340
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .088
_refine_ls_R_factor_gt           .052
_refine_ls_shift/su_max          .037
_refine_ls_shift/su_mean         .006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .083
_refine_ls_wR_factor_ref         .073
_reflns_d_resolution_high        .658
_reflns_d_resolution_low         15.67
_reflns_Friedel_coverage         0
_reflns_limit_h_max              18
_reflns_limit_h_min              0
_reflns_limit_k_max              27
_reflns_limit_k_min              -27
_reflns_limit_l_max              35
_reflns_limit_l_min              -35
_reflns_number_gt                27340
_reflns_number_total             37560
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b202364b.txt
_cod_data_source_block           br826
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_database_code               7011633
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 -.13801(3) .12369(2) .159477(16) .01884(14) Uani ? ? 1.00000 ? ?
Ru2 -.23241(3) .18504(2) .268968(16) .01985(14) Uani ? ? 1.00000 ? ?
Ru3 -.02534(3) .27439(2) .310667(14) .01468(12) Uani ? ? 1.00000 ? ?
Ru4 .17870(3) .36209(2) .358533(15) .01720(13) Uani ? ? 1.00000 ? ?
Ru5 .28373(3) .28378(2) .257199(15) .01620(13) Uani ? ? 1.00000 ? ?
Ru6 .07093(3) .207323(19) .207993(14) .01424(12) Uani ? ? 1.00000 ? ?
Ru7 -.14033(3) .28700(2) .204773(15) .01720(13) Uani ? ? 1.00000 ? ?
Ru8 -.03246(3) .10076(2) .263988(16) .01819(14) Uani ? ? 1.00000 ? ?
Ru9 .10751(3) .36617(2) .235930(16) .01729(13) Uani ? ? 1.00000 ? ?
Ru10 .16556(3) .20381(2) .335206(15) .01687(13) Uani ? ? 1.00000 ? ?
C11 -.0852(4) .1020(3) .0854(2) .030(2) Uani ? ? 1.00000 ? ?
O11 -.0552(4) .0932(3) .0399(2) .051(2) Uani ? ? 1.00000 ? ?
C12 -.2784(4) .0804(3) .1252(2) .028(2) Uani ? ? 1.00000 ? ?
O12 -.3623(4) .0524(3) .1032(2) .045(2) Uani ? ? 1.00000 ? ?
C13 -.0986(5) .0293(3) .1868(2) .028(2) Uani ? ? 1.00000 ? ?
O13 -.1080(4) -.0360(2) .16818(19) .042(2) Uani ? ? 1.00000 ? ?
C21 -.3570(5) .1159(3) .2412(2) .030(2) Uani ? ? 1.00000 ? ?
O21 -.4340(4) .0749(3) .2268(2) .050(2) Uani ? ? 1.00000 ? ?
C22 -.2940(4) .2094(3) .3407(2) .032(2) Uani ? ? 1.00000 ? ?
O22 -.3314(4) .2232(3) .3840(2) .054(3) Uani ? ? 1.00000 ? ?
C23 -.2935(4) .2678(3) .2333(2) .0244(19) Uani ? ? 1.00000 ? ?
O23 -.3768(3) .2940(3) .22915(18) .0364(19) Uani ? ? 1.00000 ? ?
C31 -.0540(4) .2474(3) .3819(2) .028(2) Uani ? ? 1.00000 ? ?
O31 -.0734(4) .2364(3) .42662(17) .039(2) Uani ? ? 1.00000 ? ?
C32 -.0876(4) .3673(3) .3266(2) .026(2) Uani ? ? 1.00000 ? ?
O32 -.1262(4) .4223(2) .34258(19) .039(2) Uani ? ? 1.00000 ? ?
C41 .1063(4) .4098(3) .4211(2) .031(2) Uani ? ? 1.00000 ? ?
O41 .0603(4) .4359(3) .4583(2) .050(2) Uani ? ? 1.00000 ? ?
C42 .3020(4) .4336(3) .3824(2) .0245(19) Uani ? ? 1.00000 ? ?
O42 .3753(3) .4779(2) .39658(19) .0371(18) Uani ? ? 1.00000 ? ?
C43 .2356(4) .2867(3) .4040(2) .0207(17) Uani ? ? 1.00000 ? ?
O43 .2873(4) .2903(2) .44854(17) .0365(18) Uani ? ? 1.00000 ? ?
C51 .4176(4) .3264(3) .3008(2) .029(2) Uani ? ? 1.00000 ? ?
O51 .4994(3) .3509(3) .3267(2) .052(2) Uani ? ? 1.00000 ? ?
C52 .3634(4) .2244(3) .2019(2) .0225(18) Uani ? ? 1.00000 ? ?
O52 .4093(3) .1873(2) .16923(18) .0366(18) Uani ? ? 1.00000 ? ?
C53 .2682(4) .3674(3) .2132(2) .0230(18) Uani ? ? 1.00000 ? ?
O53 .3195(3) .4023(2) .18578(19) .0347(18) Uani ? ? 1.00000 ? ?
C61 .0832(4) .2382(3) .1359(2) .0246(19) Uani ? ? 1.00000 ? ?
O61 .0959(4) .2498(3) .09072(17) .039(2) Uani ? ? 1.00000 ? ?
C62 .1509(4) .1231(3) .1873(2) .026(2) Uani ? ? 1.00000 ? ?
O62 .1998(4) .0739(2) .1713(2) .041(2) Uani ? ? 1.00000 ? ?
C71 -.1935(4) .2624(3) .1264(2) .028(2) Uani ? ? 1.00000 ? ?
O71 -.2252(4) .2550(3) .07787(17) .039(2) Uani ? ? 1.00000 ? ?
C72 -.1587(4) .3906(3) .2067(2) .027(2) Uani ? ? 1.00000 ? ?
O72 -.1742(4) .4521(2) .2080(2) .039(2) Uani ? ? 1.00000 ? ?
C81 -.1194(5) .0585(3) .3130(2) .028(2) Uani ? ? 1.00000 ? ?
O81 -.1623(4) .0294(3) .34557(18) .040(2) Uani ? ? 1.00000 ? ?
C82 .0717(5) .0323(3) .2737(2) .028(2) Uani ? ? 1.00000 ? ?
O82 .1316(4) -.0118(2) .2773(2) .043(2) Uani ? ? 1.00000 ? ?
C91 .1351(5) .4645(3) .2810(3) .034(2) Uani ? ? 1.00000 ? ?
O91 .1511(5) .5266(2) .3028(2) .060(3) Uani ? ? 1.00000 ? ?
C92 .0624(4) .4050(3) .1704(2) .028(2) Uani ? ? 1.00000 ? ?
O92 .0427(4) .4301(3) .1298(2) .048(2) Uani ? ? 1.00000 ? ?
C101 .2975(5) .1610(3) .3233(3) .032(2) Uani ? ? 1.00000 ? ?
O101 .3742(4) .1302(3) .3195(2) .052(3) Uani ? ? 1.00000 ? ?
C102 .1260(4) .1382(3) .3859(2) .025(2) Uani ? ? 1.00000 ? ?
O102 .1023(4) .1014(2) .41773(18) .0360(19) Uani ? ? 1.00000 ? ?
C1 -.0850(3) .1956(2) .23607(17) .0157(15) Uani ? ? 1.00000 ? ?
C2 .1319(3) .2835(2) .28482(18) .0148(14) Uani ? ? 1.00000 ? ?
P11 .43877(10) -.30157(7) .41479(5) .0188(4) Uani ? ? 1.00000 ? ?
C1111 .5370(4) -.2255(3) .4529(2) .0218(18) Uani ? ? 1.00000 ? ?
C1112 .6162(4) -.1949(3) .4209(2) .030(2) Uani ? ? 1.00000 ? ?
C1113 .6815(5) -.1293(4) .4464(3) .040(3) Uani ? ? 1.00000 ? ?
C1114 .6719(5) -.0943(3) .5033(3) .041(3) Uani ? ? 1.00000 ? ?
C1115 .5974(6) -.1263(3) .5356(3) .039(3) Uani ? ? 1.00000 ? ?
C1116 .5295(5) -.1907(3) .5105(2) .030(2) Uani ? ? 1.00000 ? ?
C1121 .3782(4) -.3497(3) .46606(19) .0199(17) Uani ? ? 1.00000 ? ?
C1122 .2652(4) -.3606(3) .4643(3) .032(2) Uani ? ? 1.00000 ? ?
C1123 .2153(5) -.4030(4) .5004(3) .037(3) Uani ? ? 1.00000 ? ?
C1124 .2808(5) -.4318(4) .5399(3) .038(3) Uani ? ? 1.00000 ? ?
C1125 .3925(5) -.4205(4) .5414(2) .036(3) Uani ? ? 1.00000 ? ?
C1126 .4435(4) -.3792(3) .5054(2) .028(2) Uani ? ? 1.00000 ? ?
C1131 .5102(4) -.3682(3) .3674(2) .0219(18) Uani ? ? 1.00000 ? ?
C1132 .4582(4) -.4039(3) .3131(2) .028(2) Uani ? ? 1.00000 ? ?
C1133 .5087(5) -.4604(3) .2783(3) .036(3) Uani ? ? 1.00000 ? ?
C1134 .6093(6) -.4792(3) .2977(3) .044(3) Uani ? ? 1.00000 ? ?
C1135 .6614(5) -.4427(4) .3506(3) .039(3) Uani ? ? 1.00000 ? ?
C1136 .6119(4) -.3864(3) .3863(2) .030(2) Uani ? ? 1.00000 ? ?
N1 .3426(3) -.2758(2) .37718(18) .0228(16) Uani ? ? 1.00000 ? ?
P12 .30001(10) -.20541(7) .35691(5) .0188(4) Uani ? ? 1.00000 ? ?
C1211 .2059(4) -.2394(3) .2933(2) .0205(17) Uani ? ? 1.00000 ? ?
C1212 .1434(4) -.3081(3) .2885(2) .025(2) Uani ? ? 1.00000 ? ?
C1213 .0667(5) -.3341(3) .2410(3) .032(2) Uani ? ? 1.00000 ? ?
C1214 .0514(4) -.2909(4) .1989(2) .032(2) Uani ? ? 1.00000 ? ?
C1215 .1126(5) -.2232(4) .2040(2) .033(2) Uani ? ? 1.00000 ? ?
C1216 .1909(4) -.1964(3) .2509(2) .026(2) Uani ? ? 1.00000 ? ?
C1221 .2236(4) -.1519(3) .4103(2) .025(2) Uani ? ? 1.00000 ? ?
C1222 .2496(6) -.1486(4) .4689(3) .040(3) Uani ? ? 1.00000 ? ?
C1223 .1908(7) -.1098(4) .5104(3) .051(3) Uani ? ? 1.00000 ? ?
C1224 .1015(6) -.0755(4) .4925(4) .052(4) Uani ? ? 1.00000 ? ?
C1225 .0755(6) -.0775(4) .4346(4) .051(3) Uani ? ? 1.00000 ? ?
C1226 .1366(5) -.1147(4) .3929(3) .038(3) Uani ? ? 1.00000 ? ?
C1231 .4065(4) -.1431(3) .3384(2) .0226(18) Uani ? ? 1.00000 ? ?
C1232 .4780(4) -.1760(3) .2997(2) .025(2) Uani ? ? 1.00000 ? ?
C1233 .5660(5) -.1326(4) .2855(3) .034(2) Uani ? ? 1.00000 ? ?
C1234 .5811(5) -.0564(4) .3086(3) .041(3) Uani ? ? 1.00000 ? ?
C1235 .5099(7) -.0232(4) .3462(4) .059(4) Uani ? ? 1.00000 ? ?
C1236 .4225(5) -.0666(3) .3614(3) .044(3) Uani ? ? 1.00000 ? ?
P21 .34839(9) .29773(6) -.12161(5) .0174(4) Uani ? ? 1.00000 ? ?
C2111 .2730(4) .2634(3) -.1916(2) .0212(18) Uani ? ? 1.00000 ? ?
C2112 .2046(4) .1949(3) -.2008(2) .0220(18) Uani ? ? 1.00000 ? ?
C2113 .1443(5) .1674(3) -.2531(2) .029(2) Uani ? ? 1.00000 ? ?
C2114 .1520(5) .2075(4) -.2982(2) .034(2) Uani ? ? 1.00000 ? ?
C2115 .2189(5) .2743(3) -.2898(2) .031(2) Uani ? ? 1.00000 ? ?
C2116 .2797(4) .3027(3) -.2366(2) .027(2) Uani ? ? 1.00000 ? ?
C2121 .2671(4) .3615(3) -.0787(2) .0221(18) Uani ? ? 1.00000 ? ?
C2122 .2662(4) .3629(3) -.0190(2) .029(2) Uani ? ? 1.00000 ? ?
C2123 .2045(5) .4102(4) .0153(3) .039(3) Uani ? ? 1.00000 ? ?
C2124 .1421(5) .4570(4) -.0090(3) .041(3) Uani ? ? 1.00000 ? ?
C2125 .1415(5) .4570(3) -.0680(3) .038(3) Uani ? ? 1.00000 ? ?
C2126 .2036(4) .4088(3) -.1029(3) .029(2) Uani ? ? 1.00000 ? ?
C2131 .4720(4) .3521(3) -.1328(2) .0208(17) Uani ? ? 1.00000 ? ?
C2132 .5519(4) .3134(3) -.1618(2) .025(2) Uani ? ? 1.00000 ? ?
C2133 .6503(4) .3516(3) -.1681(2) .029(2) Uani ? ? 1.00000 ? ?
C2134 .6709(4) .4287(3) -.1460(3) .032(2) Uani ? ? 1.00000 ? ?
C2135 .5905(5) .4671(3) -.1178(3) .033(2) Uani ? ? 1.00000 ? ?
C2136 .4914(4) .4289(3) -.1106(2) .026(2) Uani ? ? 1.00000 ? ?
N2 .3688(3) .2283(2) -.09367(18) .0213(15) Uani ? ? 1.00000 ? ?
P22 .45173(9) .20114(7) -.04930(5) .0176(4) Uani ? ? 1.00000 ? ?
C2211 .5155(4) .2753(3) .0094(2) .0188(16) Uani ? ? 1.00000 ? ?
C2212 .5914(4) .3300(3) -.0023(2) .0227(18) Uani ? ? 1.00000 ? ?
C2213 .6361(4) .3898(3) .0419(3) .029(2) Uani ? ? 1.00000 ? ?
C2214 .6059(5) .3948(3) .0981(2) .031(2) Uani ? ? 1.00000 ? ?
C2215 .5295(5) .3407(3) .1105(2) .031(2) Uani ? ? 1.00000 ? ?
C2216 .4834(4) .2809(3) .0664(2) .027(2) Uani ? ? 1.00000 ? ?
C2221 .3762(4) .1336(3) -.0180(2) .0190(16) Uani ? ? 1.00000 ? ?
C2222 .2616(4) .1242(3) -.0277(2) .028(2) Uani ? ? 1.00000 ? ?
C2223 .2029(5) .0746(3) -.0021(3) .035(2) Uani ? ? 1.00000 ? ?
C2224 .2548(5) .0355(3) .0347(2) .033(2) Uani ? ? 1.00000 ? ?
C2225 .3670(5) .0431(3) .0440(2) .030(2) Uani ? ? 1.00000 ? ?
C2226 .4289(4) .0923(3) .0169(2) .0245(19) Uani ? ? 1.00000 ? ?
C2231 .5588(4) .1561(3) -.0859(2) .0211(17) Uani ? ? 1.00000 ? ?
C2232 .5320(5) .1107(3) -.1416(2) .028(2) Uani ? ? 1.00000 ? ?
C2233 .6125(5) .0764(3) -.1719(2) .033(2) Uani ? ? 1.00000 ? ?
C2234 .7190(5) .0862(3) -.1475(2) .030(2) Uani ? ? 1.00000 ? ?
C2235 .7466(4) .1291(3) -.0920(3) .029(2) Uani ? ? 1.00000 ? ?
C2236 .6669(4) .1649(3) -.0610(2) .0238(19) Uani ? ? 1.00000 ? ?
Cl11 -.12804(14) .33721(10) -.05048(8) .0465(7) Uani ? ? 1.00000 ? ?
Cl12 .03145(12) .22666(10) -.06235(7) .0417(7) Uani ? ? 1.00000 ? ?
C10 -.0444(5) .2843(4) -.0139(3) .042(3) Uani ? ? 1.00000 ? ?
Cl21 .03062(16) .38840(12) .60696(9) .0587(9) Uani ? ? 1.00000 ? ?
Cl22 .12506(16) .25339(13) .55005(8) .0569(9) Uani ? ? 1.00000 ? ?
C20 .0086(7) .2965(6) .5648(5) .085(5) Uani ? ? 1.00000 ? ?
H1112 .62337 -.21986 .38167 .03600 Uiso ? ? 1.00000 ? ?
H1113 .73442 -.10798 .42425 .04800 Uiso ? ? 1.00000 ? ?
H1114 .71608 -.04810 .52056 .05000 Uiso ? ? 1.00000 ? ?
H1115 .59495 -.10275 .57591 .04900 Uiso ? ? 1.00000 ? ?
H1116 .47711 -.21165 .53262 .03700 Uiso ? ? 1.00000 ? ?
H1122 .21993 -.34034 .43708 .03800 Uiso ? ? 1.00000 ? ?
H1123 .13717 -.41086 .49858 .04500 Uiso ? ? 1.00000 ? ?
H1124 .24620 -.45990 .56490 .04600 Uiso ? ? 1.00000 ? ?
H1125 .43727 -.44173 .56823 .04200 Uiso ? ? 1.00000 ? ?
H1126 .52167 -.37072 .50791 .03600 Uiso ? ? 1.00000 ? ?
H1132 .38833 -.39097 .30048 .03400 Uiso ? ? 1.00000 ? ?
H1133 .47181 -.48567 .24063 .04500 Uiso ? ? 1.00000 ? ?
H1134 .64216 -.51889 .27287 .05200 Uiso ? ? 1.00000 ? ?
H1135 .73142 -.45603 .36377 .04700 Uiso ? ? 1.00000 ? ?
H1136 .64729 -.36137 .42381 .03700 Uiso ? ? 1.00000 ? ?
H1212 .15472 -.33779 .31767 .03300 Uiso ? ? 1.00000 ? ?
H1213 .02282 -.38244 .23694 .03900 Uiso ? ? 1.00000 ? ?
H1214 -.00240 -.30888 .16600 .04100 Uiso ? ? 1.00000 ? ?
H1215 .10296 -.19382 .17435 .03900 Uiso ? ? 1.00000 ? ?
H1216 .23314 -.14841 .25471 .03100 Uiso ? ? 1.00000 ? ?
H1222 .31061 -.17387 .48059 .05100 Uiso ? ? 1.00000 ? ?
H1223 .21118 -.10634 .55174 .06200 Uiso ? ? 1.00000 ? ?
H1224 .05898 -.04986 .52156 .06300 Uiso ? ? 1.00000 ? ?
H1225 .01219 -.05377 .42194 .06400 Uiso ? ? 1.00000 ? ?
H1226 .11772 -.11693 .35144 .04700 Uiso ? ? 1.00000 ? ?
H1232 .46691 -.22975 .28370 .03200 Uiso ? ? 1.00000 ? ?
H1233 .61489 -.15577 .25871 .04200 Uiso ? ? 1.00000 ? ?
H1234 .64137 -.02596 .29881 .05200 Uiso ? ? 1.00000 ? ?
H1235 .52227 .03016 .36296 .06900 Uiso ? ? 1.00000 ? ?
H1236 .37532 -.04420 .38913 .05400 Uiso ? ? 1.00000 ? ?
H2112 .20067 .16752 -.16967 .02800 Uiso ? ? 1.00000 ? ?
H2113 .09765 .12049 -.25916 .03600 Uiso ? ? 1.00000 ? ?
H2114 .11167 .18796 -.33538 .04200 Uiso ? ? 1.00000 ? ?
H2115 .22321 .30183 -.32086 .03800 Uiso ? ? 1.00000 ? ?
H2116 .32632 .34922 -.23044 .03400 Uiso ? ? 1.00000 ? ?
H2122 .31002 .33001 -.00167 .03700 Uiso ? ? 1.00000 ? ?
H2123 .20478 .41012 .05608 .04800 Uiso ? ? 1.00000 ? ?
H2124 .10033 .49079 .01505 .05000 Uiso ? ? 1.00000 ? ?
H2125 .09843 .48999 -.08477 .04600 Uiso ? ? 1.00000 ? ?
H2126 .20315 .40918 -.14383 .03700 Uiso ? ? 1.00000 ? ?
H2132 .53862 .25994 -.17673 .02900 Uiso ? ? 1.00000 ? ?
H2133 .70472 .32498 -.18825 .03500 Uiso ? ? 1.00000 ? ?
H2134 .73959 .45512 -.14987 .03900 Uiso ? ? 1.00000 ? ?
H2135 .60339 .52078 -.10329 .04000 Uiso ? ? 1.00000 ? ?
H2136 .43763 .45525 -.08993 .03000 Uiso ? ? 1.00000 ? ?
H2212 .61337 .32607 -.04101 .02800 Uiso ? ? 1.00000 ? ?
H2213 .68911 .42748 .03402 .03700 Uiso ? ? 1.00000 ? ?
H2214 .63656 .43625 .12896 .03800 Uiso ? ? 1.00000 ? ?
H2215 .50844 .34478 .14925 .03900 Uiso ? ? 1.00000 ? ?
H2216 .43025 .24289 .07454 .03300 Uiso ? ? 1.00000 ? ?
H2222 .22456 .15161 -.05280 .03500 Uiso ? ? 1.00000 ? ?
H2223 .12353 .06736 -.00911 .04200 Uiso ? ? 1.00000 ? ?
H2224 .21274 .00197 .05336 .03900 Uiso ? ? 1.00000 ? ?
H2225 .40311 .01415 .06798 .03600 Uiso ? ? 1.00000 ? ?
H2226 .50789 .09854 .02372 .03000 Uiso ? ? 1.00000 ? ?
H2232 .45752 .10369 -.15893 .03400 Uiso ? ? 1.00000 ? ?
H2233 .59382 .04556 -.21014 .04000 Uiso ? ? 1.00000 ? ?
H2234 .77549 .06338 -.16884 .03700 Uiso ? ? 1.00000 ? ?
H2235 .82070 .13507 -.07499 .03600 Uiso ? ? 1.00000 ? ?
H2236 .68523 .19513 -.02234 .03000 Uiso ? ? 1.00000 ? ?
H10a -.08890 .25315 .00573 .05100 Uiso ? ? 1.00000 ? ?
H10b .00551 .31777 .01538 .05100 Uiso ? ? 1.00000 ? ?
H20a -.03414 .29640 .52911 .10400 Uiso ? ? 1.00000 ? ?
H20b -.03682 .26540 .58579 .10400 Uiso ? ? 1.00000 ? ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C ? 0 200 .002 .002 'Int Tables Vol IV Tables 2.2B and 2.3.1'
H ? 0 128 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Cl ? 0 8 .132 .159 'Int Tables Vol IV Tables 2.2B and 2.3.1'
N ? 0 4 .004 .003 'Int Tables Vol IV Tables 2.2B and 2.3.1'
O ? 0 48 .008 .006 'Int Tables Vol IV Tables 2.2B and 2.3.1'
P ? 0 8 .09 .095 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Ru ? 0 20 -1.42 .836 'Int Tables Vol IV Tables 2.2B and 2.3.1'
loop_
_diffrn_attenuator_code
_diffrn_attenuator_scale
? ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Ru2 Ru1 Ru6 . . . 89.190(14) ?
Ru2 Ru1 Ru7 . . . 57.325(13) ?
Ru2 Ru1 Ru8 . . . 62.702(14) ?
Ru2 Ru1 C11 . . . 168.79(19) ?
Ru2 Ru1 C12 . . . 90.13(16) ?
Ru2 Ru1 C13 . . . 93.16(15) ?
Ru2 Ru1 C1 . . . 43.35(12) ?
Ru6 Ru1 Ru7 . . . 63.633(13) ?
Ru6 Ru1 Ru8 . . . 59.110(13) ?
Ru6 Ru1 C11 . . . 90.19(15) ?
Ru6 Ru1 C12 . . . 172.93(18) ?
Ru6 Ru1 C13 . . . 92.74(15) ?
Ru6 Ru1 C1 . . . 45.86(12) ?
Ru7 Ru1 Ru8 . . . 93.231(14) ?
Ru7 Ru1 C11 . . . 112.66(18) ?
Ru7 Ru1 C12 . . . 110.26(17) ?
Ru7 Ru1 C13 . . . 140.18(14) ?
Ru7 Ru1 C1 . . . 45.18(13) ?
Ru8 Ru1 C11 . . . 125.89(18) ?
Ru8 Ru1 C12 . . . 126.42(18) ?
Ru8 Ru1 C13 . . . 47.25(13) ?
Ru8 Ru1 C1 . . . 48.05(13) ?
C11 Ru1 C12 . . . 89.1(2) ?
C11 Ru1 C13 . . . 98.1(2) ?
C11 Ru1 C1 . . . 134.6(2) ?
C12 Ru1 C13 . . . 94.3(2) ?
C12 Ru1 C1 . . . 132.9(2) ?
C13 Ru1 C1 . . . 95.2(2) ?
Ru1 Ru2 Ru3 . . . 88.904(15) ?
Ru1 Ru2 Ru7 . . . 61.270(14) ?
Ru1 Ru2 Ru8 . . . 56.410(13) ?
Ru1 Ru2 C21 . . . 87.43(17) ?
Ru1 Ru2 C22 . . . 171.5(2) ?
Ru1 Ru2 C23 . . . 90.88(14) ?
Ru1 Ru2 C1 . . . 43.24(10) ?
Ru3 Ru2 Ru7 . . . 59.280(14) ?
Ru3 Ru2 Ru8 . . . 63.829(14) ?
Ru3 Ru2 C21 . . . 172.59(19) ?
Ru3 Ru2 C22 . . . 94.73(16) ?
Ru3 Ru2 C23 . . . 93.17(13) ?
Ru3 Ru2 C1 . . . 45.70(10) ?
Ru7 Ru2 Ru8 . . . 91.770(16) ?
Ru7 Ru2 C21 . . . 123.86(18) ?
Ru7 Ru2 C22 . . . 127.1(2) ?
Ru7 Ru2 C23 . . . 46.92(14) ?
Ru7 Ru2 C1 . . . 47.56(13) ?
Ru8 Ru2 C21 . . . 108.83(19) ?
Ru8 Ru2 C22 . . . 118.62(19) ?
Ru8 Ru2 C23 . . . 138.08(14) ?
Ru8 Ru2 C1 . . . 44.24(13) ?
C21 Ru2 C22 . . . 88.1(2) ?
C21 Ru2 C23 . . . 93.3(2) ?
C21 Ru2 C1 . . . 130.1(2) ?
C22 Ru2 C23 . . . 96.6(2) ?
C22 Ru2 C1 . . . 139.50(19) ?
C23 Ru2 C1 . . . 94.3(2) ?
Ru2 Ru3 Ru4 . . . 176.831(17) ?
Ru2 Ru3 Ru6 . . . 91.148(14) ?
Ru2 Ru3 Ru7 . . . 59.289(13) ?
Ru2 Ru3 Ru8 . . . 59.828(13) ?
Ru2 Ru3 Ru9 . . . 123.871(16) ?
Ru2 Ru3 Ru10 . . . 120.636(18) ?
Ru2 Ru3 C31 . . . 83.31(15) ?
Ru2 Ru3 C32 . . . 94.50(15) ?
Ru2 Ru3 C1 . . . 44.60(12) ?
Ru2 Ru3 C2 . . . 137.68(10) ?
Ru4 Ru3 Ru6 . . . 91.324(15) ?
Ru4 Ru3 Ru7 . . . 123.647(18) ?
Ru4 Ru3 Ru8 . . . 120.252(16) ?
Ru4 Ru3 Ru9 . . . 59.250(13) ?
Ru4 Ru3 Ru10 . . . 58.743(13) ?
Ru4 Ru3 C31 . . . 93.53(15) ?
Ru4 Ru3 C32 . . . 85.50(15) ?
Ru4 Ru3 C1 . . . 137.89(12) ?
Ru4 Ru3 C2 . . . 44.66(10) ?
Ru6 Ru3 Ru7 . . . 65.596(14) ?
Ru6 Ru3 Ru8 . . . 56.077(12) ?
Ru6 Ru3 Ru9 . . . 56.132(13) ?
Ru6 Ru3 Ru10 . . . 66.788(13) ?
Ru6 Ru3 C31 . . . 135.96(17) ?
Ru6 Ru3 C32 . . . 128.50(16) ?
Ru6 Ru3 C1 . . . 46.57(12) ?
Ru6 Ru3 C2 . . . 46.72(10) ?
Ru7 Ru3 Ru8 . . . 89.435(13) ?
Ru7 Ru3 Ru9 . . . 65.508(14) ?
Ru7 Ru3 Ru10 . . . 132.356(17) ?
Ru7 Ru3 C31 . . . 139.33(16) ?
Ru7 Ru3 C32 . . . 73.91(15) ?
Ru7 Ru3 C1 . . . 47.49(13) ?
Ru7 Ru3 C2 . . . 97.82(12) ?
Ru8 Ru3 Ru9 . . . 112.155(15) ?
Ru8 Ru3 Ru10 . . . 62.371(13) ?
Ru8 Ru3 C31 . . . 84.30(16) ?
Ru8 Ru3 C32 . . . 154.24(15) ?
Ru8 Ru3 C1 . . . 41.95(13) ?
Ru8 Ru3 C2 . . . 87.33(11) ?
Ru9 Ru3 Ru10 . . . 89.296(15) ?
Ru9 Ru3 C31 . . . 152.42(15) ?
Ru9 Ru3 C32 . . . 79.12(17) ?
Ru9 Ru3 C1 . . . 90.06(13) ?
Ru9 Ru3 C2 . . . 42.02(13) ?
Ru10 Ru3 C31 . . . 78.76(17) ?
Ru10 Ru3 C32 . . . 142.96(15) ?
Ru10 Ru3 C1 . . . 96.23(12) ?
Ru10 Ru3 C2 . . . 47.30(13) ?
C31 Ru3 C32 . . . 95.5(2) ?
C31 Ru3 C1 . . . 115.7(2) ?
C31 Ru3 C2 . . . 121.9(2) ?
C32 Ru3 C1 . . . 118.6(2) ?
C32 Ru3 C2 . . . 113.9(2) ?
C1 Ru3 C2 . . . 93.25(15) ?
Ru3 Ru4 Ru5 . . . 88.924(14) ?
Ru3 Ru4 Ru9 . . . 64.299(13) ?
Ru3 Ru4 Ru10 . . . 60.091(14) ?
Ru3 Ru4 C41 . . . 88.67(16) ?
Ru3 Ru4 C42 . . . 168.89(17) ?
Ru3 Ru4 C43 . . . 96.66(12) ?
Ru3 Ru4 C2 . . . 46.05(12) ?
Ru5 Ru4 Ru9 . . . 56.553(13) ?
Ru5 Ru4 Ru10 . . . 61.399(13) ?
Ru5 Ru4 C41 . . . 177.56(16) ?
Ru5 Ru4 C42 . . . 91.98(15) ?
Ru5 Ru4 C43 . . . 87.93(13) ?
Ru5 Ru4 C2 . . . 42.91(12) ?
Ru9 Ru4 Ru10 . . . 93.024(13) ?
Ru9 Ru4 C41 . . . 121.87(18) ?
Ru9 Ru4 C42 . . . 107.23(17) ?
Ru9 Ru4 C43 . . . 138.00(12) ?
Ru9 Ru4 C2 . . . 44.90(13) ?
Ru10 Ru4 C41 . . . 117.55(19) ?
Ru10 Ru4 C42 . . . 129.55(16) ?
Ru10 Ru4 C43 . . . 46.89(11) ?
Ru10 Ru4 C2 . . . 48.15(13) ?
C41 Ru4 C42 . . . 90.3(2) ?
C41 Ru4 C43 . . . 92.7(2) ?
C41 Ru4 C2 . . . 134.7(2) ?
C42 Ru4 C43 . . . 94.4(2) ?
C42 Ru4 C2 . . . 133.5(2) ?
C43 Ru4 C2 . . . 94.34(17) ?
Ru4 Ru5 Ru6 . . . 88.948(15) ?
Ru4 Ru5 Ru9 . . . 61.818(14) ?
Ru4 Ru5 Ru10 . . . 56.726(14) ?
Ru4 Ru5 C51 . . . 85.45(16) ?
Ru4 Ru5 C52 . . . 169.68(16) ?
Ru4 Ru5 C53 . . . 93.42(14) ?
Ru4 Ru5 C2 . . . 42.93(10) ?
Ru6 Ru5 Ru9 . . . 59.182(14) ?
Ru6 Ru5 Ru10 . . . 65.026(14) ?
Ru6 Ru5 C51 . . . 169.96(18) ?
Ru6 Ru5 C52 . . . 94.87(14) ?
Ru6 Ru5 C53 . . . 92.48(13) ?
Ru6 Ru5 C2 . . . 46.07(10) ?
Ru9 Ru5 Ru10 . . . 93.404(17) ?
Ru9 Ru5 C51 . . . 124.33(18) ?
Ru9 Ru5 C52 . . . 128.21(15) ?
Ru9 Ru5 C53 . . . 47.78(14) ?
Ru9 Ru5 C2 . . . 48.11(13) ?
Ru10 Ru5 C51 . . . 104.94(18) ?
Ru10 Ru5 C52 . . . 116.51(16) ?
Ru10 Ru5 C53 . . . 140.86(14) ?
Ru10 Ru5 C2 . . . 45.31(13) ?
C51 Ru5 C52 . . . 89.3(2) ?
C51 Ru5 C53 . . . 96.2(2) ?
C51 Ru5 C2 . . . 127.5(2) ?
C52 Ru5 C53 . . . 96.0(2) ?
C52 Ru5 C2 . . . 139.56(17) ?
C53 Ru5 C2 . . . 95.8(2) ?
Ru1 Ru6 Ru3 . . . 90.516(14) ?
Ru1 Ru6 Ru5 . . . 177.11(2) ?
Ru1 Ru6 Ru7 . . . 58.956(14) ?
Ru1 Ru6 Ru8 . . . 58.948(13) ?
Ru1 Ru6 Ru9 . . . 124.029(17) ?
Ru1 Ru6 Ru10 . . . 120.300(16) ?
Ru1 Ru6 C61 . . . 88.60(14) ?
Ru1 Ru6 C62 . . . 93.78(15) ?
Ru1 Ru6 C1 . . . 44.33(10) ?
Ru1 Ru6 C2 . . . 136.78(11) ?
Ru3 Ru6 Ru5 . . . 90.463(14) ?
Ru3 Ru6 Ru7 . . . 56.703(12) ?
Ru3 Ru6 Ru8 . . . 66.545(15) ?
Ru3 Ru6 Ru9 . . . 66.384(13) ?
Ru3 Ru6 Ru10 . . . 56.363(13) ?
Ru3 Ru6 C61 . . . 131.02(16) ?
Ru3 Ru6 C62 . . . 134.81(17) ?
Ru3 Ru6 C1 . . . 46.23(10) ?
Ru3 Ru6 C2 . . . 46.27(11) ?
Ru5 Ru6 Ru7 . . . 123.744(16) ?
Ru5 Ru6 Ru8 . . . 119.092(17) ?
Ru5 Ru6 Ru9 . . . 58.826(13) ?
Ru5 Ru6 Ru10 . . . 58.260(12) ?
Ru5 Ru6 C61 . . . 92.81(14) ?
Ru5 Ru6 C62 . . . 83.61(15) ?
Ru5 Ru6 C1 . . . 136.47(10) ?
Ru5 Ru6 C2 . . . 44.23(11) ?
Ru7 Ru6 Ru8 . . . 90.313(15) ?
Ru7 Ru6 Ru9 . . . 66.009(13) ?
Ru7 Ru6 Ru10 . . . 113.048(14) ?
Ru7 Ru6 C61 . . . 81.81(16) ?
Ru7 Ru6 C62 . . . 152.37(15) ?
Ru7 Ru6 C1 . . . 42.50(13) ?
Ru7 Ru6 C2 . . . 90.14(12) ?
Ru8 Ru6 Ru9 . . . 132.846(17) ?
Ru8 Ru6 Ru10 . . . 62.314(13) ?
Ru8 Ru6 C61 . . . 145.28(14) ?
Ru8 Ru6 C62 . . . 77.55(17) ?
Ru8 Ru6 C1 . . . 47.84(13) ?
Ru8 Ru6 C2 . . . 95.36(12) ?
Ru9 Ru6 Ru10 . . . 89.162(13) ?
Ru9 Ru6 C61 . . . 73.98(14) ?
Ru9 Ru6 C62 . . . 139.13(16) ?
Ru9 Ru6 C1 . . . 98.30(12) ?
Ru9 Ru6 C2 . . . 47.76(13) ?
Ru10 Ru6 C61 . . . 151.07(14) ?
Ru10 Ru6 C62 . . . 83.35(16) ?
Ru10 Ru6 C1 . . . 87.64(11) ?
Ru10 Ru6 C2 . . . 41.43(13) ?
C61 Ru6 C62 . . . 94.1(2) ?
C61 Ru6 C1 . . . 117.5(2) ?
C61 Ru6 C2 . . . 118.28(19) ?
C62 Ru6 C1 . . . 121.3(2) ?
C62 Ru6 C2 . . . 115.4(2) ?
C1 Ru6 C2 . . . 92.46(15) ?
Ru1 Ru7 Ru2 . . . 61.404(14) ?
Ru1 Ru7 Ru3 . . . 90.156(15) ?
Ru1 Ru7 Ru6 . . . 57.411(12) ?
Ru1 Ru7 C23 . . . 90.28(15) ?
Ru1 Ru7 C71 . . . 70.21(18) ?
Ru1 Ru7 C72 . . . 160.25(16) ?
Ru1 Ru7 C1 . . . 43.39(10) ?
Ru2 Ru7 Ru3 . . . 61.431(14) ?
Ru2 Ru7 Ru6 . . . 87.911(16) ?
Ru2 Ru7 C23 . . . 45.88(16) ?
Ru2 Ru7 C71 . . . 112.23(18) ?
Ru2 Ru7 C72 . . . 131.06(17) ?
Ru2 Ru7 C1 . . . 45.74(12) ?
Ru3 Ru7 Ru6 . . . 57.702(12) ?
Ru3 Ru7 C23 . . . 94.19(14) ?
Ru3 Ru7 C71 . . . 158.95(18) ?
Ru3 Ru7 C72 . . . 109.22(15) ?
Ru3 Ru7 C1 . . . 46.81(10) ?
Ru6 Ru7 C23 . . . 133.66(16) ?
Ru6 Ru7 C71 . . . 103.57(17) ?
Ru6 Ru7 C72 . . . 130.01(15) ?
Ru6 Ru7 C1 . . . 42.22(11) ?
C23 Ru7 C71 . . . 93.4(2) ?
C23 Ru7 C72 . . . 92.0(2) ?
C23 Ru7 C1 . . . 91.4(2) ?
C71 Ru7 C72 . . . 90.1(2) ?
C71 Ru7 C1 . . . 113.4(2) ?
C72 Ru7 C1 . . . 155.99(18) ?
Ru1 Ru8 Ru2 . . . 60.888(13) ?
Ru1 Ru8 Ru3 . . . 87.084(15) ?
Ru1 Ru8 Ru6 . . . 61.942(13) ?
Ru1 Ru8 Ru10 . . . 124.832(18) ?
Ru1 Ru8 C13 . . . 46.12(16) ?
Ru1 Ru8 C81 . . . 116.95(16) ?
Ru1 Ru8 C82 . . . 128.32(15) ?
Ru1 Ru8 C1 . . . 45.90(10) ?
Ru2 Ru8 Ru3 . . . 56.344(12) ?
Ru2 Ru8 Ru6 . . . 89.709(16) ?
Ru2 Ru8 Ru10 . . . 109.603(16) ?
Ru2 Ru8 C13 . . . 90.93(16) ?
Ru2 Ru8 C81 . . . 75.01(18) ?
Ru2 Ru8 C82 . . . 164.12(18) ?
Ru2 Ru8 C1 . . . 42.45(12) ?
Ru3 Ru8 Ru6 . . . 57.378(13) ?
Ru3 Ru8 Ru10 . . . 54.517(12) ?
Ru3 Ru8 C13 . . . 133.11(16) ?
Ru3 Ru8 C81 . . . 104.40(16) ?
Ru3 Ru8 C82 . . . 131.08(15) ?
Ru3 Ru8 C1 . . . 41.23(10) ?
Ru6 Ru8 Ru10 . . . 63.949(13) ?
Ru6 Ru8 C13 . . . 94.24(16) ?
Ru6 Ru8 C81 . . . 161.29(17) ?
Ru6 Ru8 C82 . . . 106.05(18) ?
Ru6 Ru8 C1 . . . 47.31(11) ?
Ru10 Ru8 C13 . . . 149.00(16) ?
Ru10 Ru8 C81 . . . 110.63(15) ?
Ru10 Ru8 C82 . . . 76.63(15) ?
Ru10 Ru8 C1 . . . 88.54(10) ?
C13 Ru8 C81 . . . 96.7(2) ?
C13 Ru8 C82 . . . 89.9(2) ?
C13 Ru8 C1 . . . 91.9(2) ?
C81 Ru8 C82 . . . 89.1(3) ?
C81 Ru8 C1 . . . 117.0(2) ?
C82 Ru8 C1 . . . 153.4(2) ?
Ru3 Ru9 Ru4 . . . 56.451(12) ?
Ru3 Ru9 Ru5 . . . 87.260(16) ?
Ru3 Ru9 Ru6 . . . 57.485(12) ?
Ru3 Ru9 C53 . . . 133.05(15) ?
Ru3 Ru9 C91 . . . 105.6(2) ?
Ru3 Ru9 C92 . . . 130.85(16) ?
Ru3 Ru9 C2 . . . 41.42(11) ?
Ru4 Ru9 Ru5 . . . 61.629(13) ?
Ru4 Ru9 Ru6 . . . 90.362(16) ?
Ru4 Ru9 C53 . . . 91.91(14) ?
Ru4 Ru9 C91 . . . 69.8(2) ?
Ru4 Ru9 C92 . . . 159.72(16) ?
Ru4 Ru9 C2 . . . 42.93(10) ?
Ru5 Ru9 Ru6 . . . 61.992(14) ?
Ru5 Ru9 C53 . . . 45.82(15) ?
Ru5 Ru9 C91 . . . 109.4(2) ?
Ru5 Ru9 C92 . . . 131.39(17) ?
Ru5 Ru9 C2 . . . 45.89(11) ?
Ru6 Ru9 C53 . . . 93.35(13) ?
Ru6 Ru9 C91 . . . 159.7(2) ?
Ru6 Ru9 C92 . . . 109.42(15) ?
Ru6 Ru9 C2 . . . 47.50(10) ?
C53 Ru9 C91 . . . 91.7(2) ?
C53 Ru9 C92 . . . 91.4(2) ?
C53 Ru9 C2 . . . 91.63(19) ?
C91 Ru9 C92 . . . 90.1(3) ?
C91 Ru9 C2 . . . 112.7(2) ?
C92 Ru9 C2 . . . 156.88(18) ?
Ru3 Ru10 Ru4 . . . 61.166(13) ?
Ru3 Ru10 Ru5 . . . 89.765(16) ?
Ru3 Ru10 Ru6 . . . 56.849(11) ?
Ru3 Ru10 Ru8 . . . 63.112(14) ?
Ru3 Ru10 C43 . . . 97.25(14) ?
Ru3 Ru10 C101 . . . 158.9(2) ?
Ru3 Ru10 C102 . . . 106.31(16) ?
Ru3 Ru10 C2 . . . 46.55(11) ?
Ru4 Ru10 Ru5 . . . 61.875(13) ?
Ru4 Ru10 Ru6 . . . 87.063(14) ?
Ru4 Ru10 Ru8 . . . 123.358(17) ?
Ru4 Ru10 C43 . . . 46.46(14) ?
Ru4 Ru10 C101 . . . 116.33(18) ?
Ru4 Ru10 C102 . . . 127.73(14) ?
Ru4 Ru10 C2 . . . 45.93(10) ?
Ru5 Ru10 Ru6 . . . 56.714(12) ?
Ru5 Ru10 Ru8 . . . 109.228(15) ?
Ru5 Ru10 C43 . . . 88.03(14) ?
Ru5 Ru10 C101 . . . 72.3(2) ?
Ru5 Ru10 C102 . . . 163.79(16) ?
Ru5 Ru10 C2 . . . 43.27(11) ?
Ru6 Ru10 Ru8 . . . 53.737(11) ?
Ru6 Ru10 C43 . . . 132.74(14) ?
Ru6 Ru10 C101 . . . 102.96(18) ?
Ru6 Ru10 C102 . . . 130.94(14) ?
Ru6 Ru10 C2 . . . 41.20(10) ?
Ru8 Ru10 C43 . . . 152.83(13) ?
Ru8 Ru10 C101 . . . 111.69(16) ?
Ru8 Ru10 C102 . . . 77.29(14) ?
Ru8 Ru10 C2 . . . 87.44(10) ?
C43 Ru10 C101 . . . 93.2(2) ?
C43 Ru10 C102 . . . 91.9(2) ?
C43 Ru10 C2 . . . 91.72(17) ?
C101 Ru10 C102 . . . 91.5(3) ?
C101 Ru10 C2 . . . 115.1(2) ?
C102 Ru10 C2 . . . 152.9(2) ?
Ru1 C11 O11 . . . 175.6(6) ?
Ru1 C12 O12 . . . 177.9(5) ?
Ru1 C13 Ru8 . . . 86.6(2) ?
Ru1 C13 O13 . . . 137.4(4) ?
Ru8 C13 O13 . . . 135.9(5) ?
Ru2 C21 O21 . . . 176.9(5) ?
Ru2 C22 O22 . . . 179.2(6) ?
Ru2 C23 Ru7 . . . 87.2(2) ?
Ru2 C23 O23 . . . 138.0(5) ?
Ru7 C23 O23 . . . 134.8(5) ?
Ru3 C31 O31 . . . 174.8(5) ?
Ru3 C32 O32 . . . 172.2(5) ?
Ru4 C41 O41 . . . 177.3(5) ?
Ru4 C42 O42 . . . 178.7(5) ?
Ru4 C43 Ru10 . . . 86.65(18) ?
Ru4 C43 O43 . . . 135.9(4) ?
Ru10 C43 O43 . . . 137.5(4) ?
Ru5 C51 O51 . . . 178.8(5) ?
Ru5 C52 O52 . . . 178.0(5) ?
Ru5 C53 Ru9 . . . 86.4(2) ?
Ru5 C53 O53 . . . 139.9(4) ?
Ru9 C53 O53 . . . 133.7(4) ?
Ru6 C61 O61 . . . 172.6(5) ?
Ru6 C62 O62 . . . 175.3(5) ?
Ru7 C71 O71 . . . 173.0(5) ?
Ru7 C72 O72 . . . 177.2(5) ?
Ru8 C81 O81 . . . 172.1(5) ?
Ru8 C82 O82 . . . 176.5(4) ?
Ru9 C91 O91 . . . 172.7(6) ?
Ru9 C92 O92 . . . 175.0(5) ?
Ru10 C101 O101 . . . 173.1(6) ?
Ru10 C102 O102 . . . 177.4(4) ?
Ru1 C1 Ru2 . . . 93.41(16) ?
Ru1 C1 Ru3 . . . 175.7(3) ?
Ru1 C1 Ru6 . . . 89.81(16) ?
Ru1 C1 Ru7 . . . 91.43(17) ?
Ru1 C1 Ru8 . . . 86.05(16) ?
Ru2 C1 Ru3 . . . 89.70(16) ?
Ru2 C1 Ru6 . . . 176.2(2) ?
Ru2 C1 Ru7 . . . 86.71(17) ?
Ru2 C1 Ru8 . . . 93.30(19) ?
Ru3 C1 Ru6 . . . 87.20(15) ?
Ru3 C1 Ru7 . . . 85.70(16) ?
Ru3 C1 Ru8 . . . 96.82(17) ?
Ru6 C1 Ru7 . . . 95.28(19) ?
Ru6 C1 Ru8 . . . 84.85(16) ?
Ru7 C1 Ru8 . . . 177.5(2) ?
Ru3 C2 Ru4 . . . 89.29(16) ?
Ru3 C2 Ru5 . . . 175.6(2) ?
Ru3 C2 Ru6 . . . 87.01(14) ?
Ru3 C2 Ru9 . . . 96.56(18) ?
Ru3 C2 Ru10 . . . 86.15(17) ?
Ru4 C2 Ru5 . . . 94.17(16) ?
Ru4 C2 Ru6 . . . 174.9(2) ?
Ru4 C2 Ru9 . . . 92.16(17) ?
Ru4 C2 Ru10 . . . 85.92(16) ?
Ru5 C2 Ru6 . . . 89.70(16) ?
Ru5 C2 Ru9 . . . 86.00(17) ?
Ru5 C2 Ru10 . . . 91.41(17) ?
Ru6 C2 Ru9 . . . 84.74(16) ?
Ru6 C2 Ru10 . . . 97.37(17) ?
Ru9 C2 Ru10 . . . 176.7(2) ?
C1111 P11 C1121 . . . 109.7(2) ?
C1111 P11 C1131 . . . 108.3(2) ?
C1111 P11 N1 . . . 114.1(2) ?
C1121 P11 C1131 . . . 107.8(2) ?
C1121 P11 N1 . . . 107.7(2) ?
C1131 P11 N1 . . . 109.0(2) ?
P11 C1111 C1112 . . . 118.4(4) ?
P11 C1111 C1116 . . . 121.8(4) ?
C1112 C1111 C1116 . . . 119.4(4) ?
C1111 C1112 C1113 . . . 119.9(5) ?
C1111 C1112 H1112 . . . 119.5 ?
C1113 C1112 H1112 . . . 120.7 ?
C1112 C1113 C1114 . . . 120.3(6) ?
C1112 C1113 H1113 . . . 119.8 ?
C1114 C1113 H1113 . . . 119.9 ?
C1113 C1114 C1115 . . . 119.8(5) ?
C1113 C1114 H1114 . . . 120.2 ?
C1115 C1114 H1114 . . . 120.0 ?
C1114 C1115 C1116 . . . 120.7(5) ?
C1114 C1115 H1115 . . . 118.6 ?
C1116 C1115 H1115 . . . 120.7 ?
C1111 C1116 C1115 . . . 119.9(5) ?
C1111 C1116 H1116 . . . 119.8 ?
C1115 C1116 H1116 . . . 120.3 ?
P11 C1121 C1122 . . . 119.0(4) ?
P11 C1121 C1126 . . . 120.8(4) ?
C1122 C1121 C1126 . . . 120.1(5) ?
C1121 C1122 C1123 . . . 120.5(6) ?
C1121 C1122 H1122 . . . 120.2 ?
C1123 C1122 H1122 . . . 119.3 ?
C1122 C1123 C1124 . . . 119.2(6) ?
C1122 C1123 H1123 . . . 120.1 ?
C1124 C1123 H1123 . . . 120.7 ?
C1123 C1124 C1125 . . . 119.9(6) ?
C1123 C1124 H1124 . . . 118.7 ?
C1125 C1124 H1124 . . . 121.4 ?
C1124 C1125 C1126 . . . 121.8(6) ?
C1124 C1125 H1125 . . . 119.4 ?
C1126 C1125 H1125 . . . 118.9 ?
C1121 C1126 C1125 . . . 118.6(5) ?
C1121 C1126 H1126 . . . 120.9 ?
C1125 C1126 H1126 . . . 120.5 ?
P11 C1131 C1132 . . . 118.6(4) ?
P11 C1131 C1136 . . . 120.4(4) ?
C1132 C1131 C1136 . . . 120.9(5) ?
C1131 C1132 C1133 . . . 119.0(5) ?
C1131 C1132 H1132 . . . 120.3 ?
C1133 C1132 H1132 . . . 120.7 ?
C1132 C1133 C1134 . . . 119.9(5) ?
C1132 C1133 H1133 . . . 118.8 ?
C1134 C1133 H1133 . . . 121.3 ?
C1133 C1134 C1135 . . . 121.0(6) ?
C1133 C1134 H1134 . . . 118.2 ?
C1135 C1134 H1134 . . . 120.8 ?
C1134 C1135 C1136 . . . 120.0(6) ?
C1134 C1135 H1135 . . . 120.5 ?
C1136 C1135 H1135 . . . 119.5 ?
C1131 C1136 C1135 . . . 119.2(5) ?
C1131 C1136 H1136 . . . 120.3 ?
C1135 C1136 H1136 . . . 120.4 ?
P11 N1 P12 . . . 143.1(3) ?
N1 P12 C1211 . . . 107.7(2) ?
N1 P12 C1221 . . . 112.3(3) ?
N1 P12 C1231 . . . 113.7(2) ?
C1211 P12 C1221 . . . 106.0(2) ?
C1211 P12 C1231 . . . 108.0(2) ?
C1221 P12 C1231 . . . 108.8(2) ?
P12 C1211 C1212 . . . 118.4(4) ?
P12 C1211 C1216 . . . 121.1(3) ?
C1212 C1211 C1216 . . . 120.4(4) ?
C1211 C1212 C1213 . . . 119.5(5) ?
C1211 C1212 H1212 . . . 120.0 ?
C1213 C1212 H1212 . . . 120.5 ?
C1212 C1213 C1214 . . . 120.0(5) ?
C1212 C1213 H1213 . . . 120.2 ?
C1214 C1213 H1213 . . . 119.8 ?
C1213 C1214 C1215 . . . 120.3(5) ?
C1213 C1214 H1214 . . . 119.9 ?
C1215 C1214 H1214 . . . 119.8 ?
C1214 C1215 C1216 . . . 120.7(6) ?
C1214 C1215 H1215 . . . 120.1 ?
C1216 C1215 H1215 . . . 119.1 ?
C1211 C1216 C1215 . . . 119.1(5) ?
C1211 C1216 H1216 . . . 120.3 ?
C1215 C1216 H1216 . . . 120.6 ?
P12 C1221 C1222 . . . 120.1(5) ?
P12 C1221 C1226 . . . 120.5(4) ?
C1222 C1221 C1226 . . . 119.4(5) ?
C1221 C1222 C1223 . . . 121.3(7) ?
C1221 C1222 H1222 . . . 118.8 ?
C1223 C1222 H1222 . . . 119.9 ?
C1222 C1223 C1224 . . . 118.9(7) ?
C1222 C1223 H1223 . . . 120.8 ?
C1224 C1223 H1223 . . . 120.3 ?
C1223 C1224 C1225 . . . 120.5(7) ?
C1223 C1224 H1224 . . . 118.7 ?
C1225 C1224 H1224 . . . 120.7 ?
C1224 C1225 C1226 . . . 120.5(7) ?
C1224 C1225 H1225 . . . 120.5 ?
C1226 C1225 H1225 . . . 118.9 ?
C1221 C1226 C1225 . . . 119.3(6) ?
C1221 C1226 H1226 . . . 119.7 ?
C1225 C1226 H1226 . . . 120.9 ?
P12 C1231 C1232 . . . 116.6(4) ?
P12 C1231 C1236 . . . 123.9(4) ?
C1232 C1231 C1236 . . . 119.5(5) ?
C1231 C1232 C1233 . . . 120.4(5) ?
C1231 C1232 H1232 . . . 119.5 ?
C1233 C1232 H1232 . . . 120.1 ?
C1232 C1233 C1234 . . . 119.6(6) ?
C1232 C1233 H1233 . . . 119.8 ?
C1234 C1233 H1233 . . . 120.6 ?
C1233 C1234 C1235 . . . 120.4(6) ?
C1233 C1234 H1234 . . . 120.2 ?
C1235 C1234 H1234 . . . 119.4 ?
C1234 C1235 C1236 . . . 120.3(6) ?
C1234 C1235 H1235 . . . 119.8 ?
C1236 C1235 H1235 . . . 119.9 ?
C1231 C1236 C1235 . . . 119.8(6) ?
C1231 C1236 H1236 . . . 119.7 ?
C1235 C1236 H1236 . . . 120.4 ?
C2111 P21 C2121 . . . 107.3(2) ?
C2111 P21 C2131 . . . 107.5(2) ?
C2111 P21 N2 . . . 108.1(2) ?
C2121 P21 C2131 . . . 107.5(2) ?
C2121 P21 N2 . . . 111.9(2) ?
C2131 P21 N2 . . . 114.3(2) ?
P21 C2111 C2112 . . . 118.7(4) ?
P21 C2111 C2116 . . . 121.8(4) ?
C2112 C2111 C2116 . . . 119.5(4) ?
C2111 C2112 C2113 . . . 120.6(5) ?
C2111 C2112 H2112 . . . 119.3 ?
C2113 C2112 H2112 . . . 120.1 ?
C2112 C2113 C2114 . . . 119.4(5) ?
C2112 C2113 H2113 . . . 120.2 ?
C2114 C2113 H2113 . . . 120.4 ?
C2113 C2114 C2115 . . . 120.6(5) ?
C2113 C2114 H2114 . . . 120.1 ?
C2115 C2114 H2114 . . . 119.4 ?
C2114 C2115 C2116 . . . 120.3(6) ?
C2114 C2115 H2115 . . . 120.1 ?
C2116 C2115 H2115 . . . 119.6 ?
C2111 C2116 C2115 . . . 119.7(5) ?
C2111 C2116 H2116 . . . 119.6 ?
C2115 C2116 H2116 . . . 120.7 ?
P21 C2121 C2122 . . . 119.2(4) ?
P21 C2121 C2126 . . . 122.3(4) ?
C2122 C2121 C2126 . . . 118.5(5) ?
C2121 C2122 C2123 . . . 121.1(6) ?
C2121 C2122 H2122 . . . 119.3 ?
C2123 C2122 H2122 . . . 119.6 ?
C2122 C2123 C2124 . . . 120.0(6) ?
C2122 C2123 H2123 . . . 119.8 ?
C2124 C2123 H2123 . . . 120.2 ?
C2123 C2124 C2125 . . . 120.2(6) ?
C2123 C2124 H2124 . . . 119.9 ?
C2125 C2124 H2124 . . . 119.8 ?
C2124 C2125 C2126 . . . 119.9(6) ?
C2124 C2125 H2125 . . . 120.1 ?
C2126 C2125 H2125 . . . 120.0 ?
C2121 C2126 C2125 . . . 120.3(6) ?
C2121 C2126 H2126 . . . 120.1 ?
C2125 C2126 H2126 . . . 119.6 ?
P21 C2131 C2132 . . . 117.9(4) ?
P21 C2131 C2136 . . . 121.9(4) ?
C2132 C2131 C2136 . . . 120.1(4) ?
C2131 C2132 C2133 . . . 120.0(5) ?
C2131 C2132 H2132 . . . 120.0 ?
C2133 C2132 H2132 . . . 120.0 ?
C2132 C2133 C2134 . . . 120.5(5) ?
C2132 C2133 H2133 . . . 119.8 ?
C2134 C2133 H2133 . . . 119.7 ?
C2133 C2134 C2135 . . . 119.2(5) ?
C2133 C2134 H2134 . . . 120.5 ?
C2135 C2134 H2134 . . . 120.3 ?
C2134 C2135 C2136 . . . 120.8(5) ?
C2134 C2135 H2135 . . . 119.7 ?
C2136 C2135 H2135 . . . 119.5 ?
C2131 C2136 C2135 . . . 119.4(5) ?
C2131 C2136 H2136 . . . 120.3 ?
C2135 C2136 H2136 . . . 120.3 ?
P21 N2 P22 . . . 141.7(3) ?
N2 P22 C2211 . . . 114.4(2) ?
N2 P22 C2221 . . . 107.3(2) ?
N2 P22 C2231 . . . 111.2(2) ?
C2211 P22 C2221 . . . 107.9(2) ?
C2211 P22 C2231 . . . 107.7(2) ?
C2221 P22 C2231 . . . 108.2(2) ?
P22 C2211 C2212 . . . 119.7(3) ?
P22 C2211 C2216 . . . 120.4(4) ?
C2212 C2211 C2216 . . . 119.7(4) ?
C2211 C2212 C2213 . . . 120.2(5) ?
C2211 C2212 H2212 . . . 119.7 ?
C2213 C2212 H2212 . . . 120.1 ?
C2212 C2213 C2214 . . . 120.1(5) ?
C2212 C2213 H2213 . . . 120.4 ?
C2214 C2213 H2213 . . . 119.5 ?
C2213 C2214 C2215 . . . 120.4(5) ?
C2213 C2214 H2214 . . . 120.5 ?
C2215 C2214 H2214 . . . 119.0 ?
C2214 C2215 C2216 . . . 119.9(5) ?
C2214 C2215 H2215 . . . 120.0 ?
C2216 C2215 H2215 . . . 120.1 ?
C2211 C2216 C2215 . . . 119.6(5) ?
C2211 C2216 H2216 . . . 119.8 ?
C2215 C2216 H2216 . . . 120.6 ?
P22 C2221 C2222 . . . 119.1(4) ?
P22 C2221 C2226 . . . 121.0(4) ?
C2222 C2221 C2226 . . . 119.9(5) ?
C2221 C2222 C2223 . . . 119.5(5) ?
C2221 C2222 H2222 . . . 120.4 ?
C2223 C2222 H2222 . . . 120.2 ?
C2222 C2223 C2224 . . . 120.9(5) ?
C2222 C2223 H2223 . . . 119.9 ?
C2224 C2223 H2223 . . . 119.2 ?
C2223 C2224 C2225 . . . 120.3(6) ?
C2223 C2224 H2224 . . . 120.2 ?
C2225 C2224 H2224 . . . 119.5 ?
C2224 C2225 C2226 . . . 119.7(6) ?
C2224 C2225 H2225 . . . 120.3 ?
C2226 C2225 H2225 . . . 120.0 ?
C2221 C2226 C2225 . . . 119.7(5) ?
C2221 C2226 H2226 . . . 120.2 ?
C2225 C2226 H2226 . . . 120.1 ?
P22 C2231 C2232 . . . 118.2(4) ?
P22 C2231 C2236 . . . 122.4(3) ?
C2232 C2231 C2236 . . . 119.3(5) ?
C2231 C2232 C2233 . . . 120.1(5) ?
C2231 C2232 H2232 . . . 119.9 ?
C2233 C2232 H2232 . . . 120.0 ?
C2232 C2233 C2234 . . . 120.3(5) ?
C2232 C2233 H2233 . . . 119.8 ?
C2234 C2233 H2233 . . . 119.9 ?
C2233 C2234 C2235 . . . 120.5(5) ?
C2233 C2234 H2234 . . . 120.5 ?
C2235 C2234 H2234 . . . 119.0 ?
C2234 C2235 C2236 . . . 120.1(5) ?
C2234 C2235 H2235 . . . 120.1 ?
C2236 C2235 H2235 . . . 119.8 ?
C2231 C2236 C2235 . . . 119.7(4) ?
C2231 C2236 H2236 . . . 119.5 ?
C2235 C2236 H2236 . . . 120.8 ?
Cl11 C10 Cl12 . . . 111.7(4) ?
Cl11 C10 H10a . . . 109.8 ?
Cl11 C10 H10b . . . 109.8 ?
Cl12 C10 H10a . . . 109.1 ?
Cl12 C10 H10b . . . 109.1 ?
H10a C10 H10b . . . 107.3 ?
Cl21 C20 Cl22 . . . 115.2(5) ?
Cl21 C20 H20a . . . 109.6 ?
Cl21 C20 H20b . . . 108.1 ?
Cl22 C20 H20a . . . 109.6 ?
Cl22 C20 H20b . . . 108.1 ?
H20a C20 H20b . . . 105.8 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 Ru2 . . 2.9575(6) ?
Ru1 Ru6 . . 2.9047(5) ?
Ru1 Ru7 . . 2.9537(6) ?
Ru1 Ru8 . . 2.8198(6) ?
Ru1 C11 . . 1.886(6) ?
Ru1 C12 . . 1.888(5) ?
Ru1 C13 . . 2.036(6) ?
Ru1 C1 . . 2.030(4) ?
Ru2 Ru3 . . 2.8962(5) ?
Ru2 Ru7 . . 2.8353(6) ?
Ru2 Ru8 . . 3.0081(6) ?
Ru2 C21 . . 1.886(5) ?
Ru2 C22 . . 1.888(6) ?
Ru2 C23 . . 2.038(6) ?
Ru2 C1 . . 2.034(4) ?
Ru3 Ru4 . . 2.8813(5) ?
Ru3 Ru6 . . 2.8670(5) ?
Ru3 Ru7 . . 2.8350(5) ?
Ru3 Ru8 . . 3.1228(6) ?
Ru3 Ru9 . . 3.1152(6) ?
Ru3 Ru10 . . 2.8511(6) ?
Ru3 C31 . . 1.890(6) ?
Ru3 C32 . . 1.898(6) ?
Ru3 C1 . . 2.073(4) ?
Ru3 C2 . . 2.075(4) ?
Ru4 Ru5 . . 2.9659(5) ?
Ru4 Ru9 . . 2.9712(6) ?
Ru4 Ru10 . . 2.8117(6) ?
Ru4 C41 . . 1.879(5) ?
Ru4 C42 . . 1.886(5) ?
Ru4 C43 . . 2.042(5) ?
Ru4 C2 . . 2.025(4) ?
Ru5 Ru6 . . 2.9023(5) ?
Ru5 Ru9 . . 2.8126(6) ?
Ru5 Ru10 . . 2.9526(6) ?
Ru5 C51 . . 1.893(5) ?
Ru5 C52 . . 1.905(5) ?
Ru5 C53 . . 2.021(6) ?
Ru5 C2 . . 2.025(4) ?
Ru6 Ru7 . . 3.0888(6) ?
Ru6 Ru8 . . 2.8246(6) ?
Ru6 Ru9 . . 2.8231(6) ?
Ru6 Ru10 . . 3.1472(6) ?
Ru6 C61 . . 1.903(5) ?
Ru6 C62 . . 1.895(5) ?
Ru6 C1 . . 2.084(4) ?
Ru6 C2 . . 2.090(4) ?
Ru7 C23 . . 2.073(5) ?
Ru7 C71 . . 1.863(5) ?
Ru7 C72 . . 1.912(6) ?
Ru7 C1 . . 2.096(5) ?
Ru8 Ru10 . . 3.1020(5) ?
Ru8 C13 . . 2.074(5) ?
Ru8 C81 . . 1.863(6) ?
Ru8 C82 . . 1.897(6) ?
Ru8 C1 . . 2.102(5) ?
Ru9 C53 . . 2.087(5) ?
Ru9 C91 . . 1.878(5) ?
Ru9 C92 . . 1.888(6) ?
Ru9 C2 . . 2.099(5) ?
Ru10 C43 . . 2.056(4) ?
Ru10 C101 . . 1.877(6) ?
Ru10 C102 . . 1.910(6) ?
Ru10 C2 . . 2.100(5) ?
C11 O11 . . 1.144(7) ?
C12 O12 . . 1.149(6) ?
C13 O13 . . 1.175(6) ?
C21 O21 . . 1.140(7) ?
C22 O22 . . 1.141(8) ?
C23 O23 . . 1.174(7) ?
C31 O31 . . 1.148(7) ?
C32 O32 . . 1.150(7) ?
C41 O41 . . 1.125(7) ?
C42 O42 . . 1.139(6) ?
C43 O43 . . 1.173(6) ?
C51 O51 . . 1.143(6) ?
C52 O52 . . 1.135(6) ?
C53 O53 . . 1.173(7) ?
C61 O61 . . 1.145(7) ?
C62 O62 . . 1.138(7) ?
C71 O71 . . 1.157(7) ?
C72 O72 . . 1.147(7) ?
C81 O81 . . 1.150(8) ?
C82 O82 . . 1.147(8) ?
C91 O91 . . 1.138(7) ?
C92 O92 . . 1.159(8) ?
C101 O101 . . 1.139(8) ?
C102 O102 . . 1.139(7) ?
P11 C1111 . . 1.800(4) ?
P11 C1121 . . 1.797(5) ?
P11 C1131 . . 1.809(5) ?
P11 N1 . . 1.586(5) ?
C1111 C1112 . . 1.419(8) ?
C1111 C1116 . . 1.390(7) ?
C1112 C1113 . . 1.381(8) ?
C1112 H1112 . . .958 ?
C1113 C1114 . . 1.381(9) ?
C1113 H1113 . . .966 ?
C1114 C1115 . . 1.397(10) ?
C1114 H1114 . . .960 ?
C1115 C1116 . . 1.380(8) ?
C1115 H1115 . . .962 ?
C1116 H1116 . . .959 ?
C1121 C1122 . . 1.385(7) ?
C1121 C1126 . . 1.400(8) ?
C1122 C1123 . . 1.398(10) ?
C1122 H1122 . . .967 ?
C1123 C1124 . . 1.397(10) ?
C1123 H1123 . . .957 ?
C1124 C1125 . . 1.369(9) ?
C1124 H1124 . . .954 ?
C1125 C1126 . . 1.391(9) ?
C1125 H1125 . . .967 ?
C1126 H1126 . . .957 ?
C1131 C1132 . . 1.393(7) ?
C1131 C1136 . . 1.387(8) ?
C1132 C1133 . . 1.401(8) ?
C1132 H1132 . . .954 ?
C1133 C1134 . . 1.383(10) ?
C1133 H1133 . . .971 ?
C1134 C1135 . . 1.369(9) ?
C1134 H1134 . . .972 ?
C1135 C1136 . . 1.403(9) ?
C1135 H1135 . . .962 ?
C1136 H1136 . . .961 ?
N1 P12 . . 1.572(5) ?
P12 C1211 . . 1.793(4) ?
P12 C1221 . . 1.803(5) ?
P12 C1231 . . 1.795(5) ?
C1211 C1212 . . 1.391(7) ?
C1211 C1216 . . 1.399(8) ?
C1212 C1213 . . 1.387(7) ?
C1212 H1212 . . .965 ?
C1213 C1214 . . 1.396(9) ?
C1213 H1213 . . .976 ?
C1214 C1215 . . 1.368(9) ?
C1214 H1214 . . .964 ?
C1215 C1216 . . 1.390(7) ?
C1215 H1215 . . .967 ?
C1216 H1216 . . .962 ?
C1221 C1222 . . 1.382(8) ?
C1221 C1226 . . 1.395(9) ?
C1222 C1223 . . 1.375(10) ?
C1222 H1222 . . .966 ?
C1223 C1224 . . 1.390(12) ?
C1223 H1223 . . .975 ?
C1224 C1225 . . 1.370(12) ?
C1224 H1224 . . .963 ?
C1225 C1226 . . 1.385(10) ?
C1225 H1225 . . .978 ?
C1226 H1226 . . .977 ?
C1231 C1232 . . 1.399(7) ?
C1231 C1236 . . 1.380(7) ?
C1232 C1233 . . 1.388(8) ?
C1232 H1232 . . .969 ?
C1233 C1234 . . 1.376(9) ?
C1233 H1233 . . .964 ?
C1234 C1235 . . 1.382(11) ?
C1234 H1234 . . .957 ?
C1235 C1236 . . 1.392(11) ?
C1235 H1235 . . .966 ?
C1236 H1236 . . .959 ?
P21 C2111 . . 1.797(5) ?
P21 C2121 . . 1.801(5) ?
P21 C2131 . . 1.809(5) ?
P21 N2 . . 1.569(5) ?
C2111 C2112 . . 1.412(7) ?
C2111 C2116 . . 1.397(8) ?
C2112 C2113 . . 1.367(7) ?
C2112 H2112 . . .969 ?
C2113 C2114 . . 1.409(9) ?
C2113 H2113 . . .967 ?
C2114 C2115 . . 1.380(8) ?
C2114 H2114 . . .959 ?
C2115 C2116 . . 1.389(7) ?
C2115 H2115 . . .969 ?
C2116 H2116 . . .961 ?
C2121 C2122 . . 1.402(8) ?
C2121 C2126 . . 1.387(8) ?
C2122 C2123 . . 1.376(8) ?
C2122 H2122 . . .968 ?
C2123 C2124 . . 1.374(10) ?
C2123 H2123 . . .961 ?
C2124 C2125 . . 1.388(11) ?
C2124 H2124 . . .960 ?
C2125 C2126 . . 1.395(8) ?
C2125 H2125 . . .958 ?
C2126 H2126 . . .965 ?
C2131 C2132 . . 1.398(7) ?
C2131 C2136 . . 1.384(7) ?
C2132 C2133 . . 1.378(7) ?
C2132 H2132 . . .961 ?
C2133 C2134 . . 1.390(8) ?
C2133 H2133 . . .959 ?
C2134 C2135 . . 1.392(8) ?
C2134 H2134 . . .956 ?
C2135 C2136 . . 1.392(8) ?
C2135 H2135 . . .964 ?
C2136 H2136 . . .955 ?
N2 P22 . . 1.586(4) ?
P22 C2211 . . 1.804(4) ?
P22 C2221 . . 1.787(5) ?
P22 C2231 . . 1.795(5) ?
C2211 C2212 . . 1.390(7) ?
C2211 C2216 . . 1.413(7) ?
C2212 C2213 . . 1.388(6) ?
C2212 H2212 . . .960 ?
C2213 C2214 . . 1.387(8) ?
C2213 H2213 . . .961 ?
C2214 C2215 . . 1.392(8) ?
C2214 H2214 . . .965 ?
C2215 C2216 . . 1.391(7) ?
C2215 H2215 . . .958 ?
C2216 H2216 . . .969 ?
C2221 C2222 . . 1.402(7) ?
C2221 C2226 . . 1.384(7) ?
C2222 C2223 . . 1.369(9) ?
C2222 H2222 . . .961 ?
C2223 C2224 . . 1.383(9) ?
C2223 H2223 . . .972 ?
C2224 C2225 . . 1.373(8) ?
C2224 H2224 . . .959 ?
C2225 C2226 . . 1.405(8) ?
C2225 H2225 . . .958 ?
C2226 H2226 . . .967 ?
C2231 C2232 . . 1.401(6) ?
C2231 C2236 . . 1.397(7) ?
C2232 C2233 . . 1.382(8) ?
C2232 H2232 . . .963 ?
C2233 C2234 . . 1.374(9) ?
C2233 H2233 . . .961 ?
C2234 C2235 . . 1.383(7) ?
C2234 H2234 . . .962 ?
C2235 C2236 . . 1.394(7) ?
C2235 H2235 . . .958 ?
C2236 H2236 . . .964 ?
Cl11 C10 . . 1.761(8) ?
Cl12 C10 . . 1.766(7) ?
C10 H10a . . .962 ?
C10 H10b . . .963 ?
Cl21 C20 . . 1.753(10) ?
Cl22 C20 . . 1.718(10) ?
C20 H20a . . .958 ?
C20 H20b . . .987 ?
